2-(3,4-dimethoxyphenyl)-N-[5-(2,3-dimethylanilino)-2-pyridinyl]acetamide

C23H25N3O3 — CID 113032344

IUPAC2-(3,4-dimethoxyphenyl)-N-[5-(2,3-dimethylanilino)-2-pyridinyl]acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(Nc3cccc(C)c3C)cn2)cc1OC
InChIInChI=1S/C23H25N3O3/c1-15-6-5-7-19(16(15)2)25-18-9-11-22(24-14-18)26-23(27)13-17-8-10-20(28-3)21(12-17)29-4/h5-12,14,25H,13H2,1-4H3,(H,24,26,27)
InChIKeyDMXKHCWSSASPQP-UHFFFAOYSA-N
MW391.47 g/mol
LogP4.64
Rot. Bonds7

About 2-(3,4-dimethoxyphenyl)-N-[5-(2,3-dimethylanilino)-2-pyridinyl]acetamide

2-(3,4-dimethoxyphenyl)-N-[5-(2,3-dimethylanilino)-2-pyridinyl]acetamide (PubChem CID 113032344) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[5-(2,3-dimethylanilino)-2-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[5-(2,3-dimethylanilino)-2-pyridinyl]acetamide
PubChem CID113032344
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[5-(2,3-dimethylanilino)-2-pyridinyl]acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(Nc3cccc(C)c3C)cn2)cc1OC
InChIInChI=1S/C23H25N3O3/c1-15-6-5-7-19(16(15)2)25-18-9-11-22(24-14-18)26-23(27)13-17-8-10-20(28-3)21(12-17)29-4/h5-12,14,25H,13H2,1-4H3,(H,24,26,27)
InChIKeyDMXKHCWSSASPQP-UHFFFAOYSA-N
XLogP4.64
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-[6-(2,3-dimethylanilino)pyridazin-3-yl]acetamide
CID 113046587
2-(3,4-dimethoxyphenyl)-N-[5-(2,5-dimethylanilino)-2-pyridinyl]acetamide
CID 113032044
N-[5-(2,4-difluoroanilino)-2-pyridinyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 113036450
2-(3,4-dimethoxyphenyl)-N-[5-[(3-methylphenyl)methylamino]-2-pyridinyl]acetamide
CID 113026619
N-[5-(3-cyanoanilino)-2-pyridinyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 113037183
N-[6-(2-chloroanilino)-3-pyridinyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 113018440
2-(2-methoxyphenoxy)-N-[5-(2-methylanilino)-2-pyridinyl]acetamide
CID 113031340
N-[6-[(3,4-dimethoxyphenyl)methylamino]-3-pyridinyl]-2-(2-methylphenyl)acetamide
CID 113014017
2-(3,4-dimethoxyphenyl)-N-[6-(3-fluoroanilino)-3-pyridinyl]acetamide
CID 113021300
N-[5-(butylamino)-2-pyridinyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 113024001
N-[6-(2,3-dimethylanilino)-3-pyridinyl]-2-(3-fluorophenyl)acetamide
CID 113017296
N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide
CID 113020115

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[5-(2,3-dimethylanilino)-2-pyridinyl]acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[5-(2,3-dimethylanilino)-2-pyridinyl]acetamide (CID 113032344) is 2-(3,4-dimethoxyphenyl)-N-[5-(2,3-dimethylanilino)-2-pyridinyl]acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[5-(2,3-dimethylanilino)-2-pyridinyl]acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[5-(2,3-dimethylanilino)-2-pyridinyl]acetamide is COc1ccc(CC(=O)Nc2ccc(Nc3cccc(C)c3C)cn2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[5-(2,3-dimethylanilino)-2-pyridinyl]acetamide?
The InChIKey is DMXKHCWSSASPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-15-6-5-7-19(16(15)2)25-18-9-11-22(24-14-18)26-23(27)13-17-8-10-20(28-3)21(12-17)29-4/h5-12,14,25H,13H2,1-4H3,(H,24,26,27).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[5-(2,3-dimethylanilino)-2-pyridinyl]acetamide?
2-(3,4-dimethoxyphenyl)-N-[5-(2,3-dimethylanilino)-2-pyridinyl]acetamide has a molecular weight of 391.47 g/mol, XLogP of 4.64, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-[5-(2,3-dimethylanilino)-2-pyridinyl]acetamide is sourced from PubChem (CID 113032344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).